SCHEMBL2767644

SCHEMBL2767644

CNc1nc2c(cc(-c3cc(F)cc(C#N)c3)n2CCN2CCOCC2)c2c1ncn2C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.42
CHUK O15111 5/20 0.42
JAK2 O60674 8/20 0.40
JAK3 P52333 8/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
LRRK2 Q5S007 1/20 0.38
CNR2 P34972 4/20 0.36
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2768039 0.94 IKBKB (0.43) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL3046566 0.92 IKBKB (0.46) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL2767367 0.87 IKBKB (0.47) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL3040915 0.87 JAK2 (0.42) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL2768229 0.87 IKBKB (0.46) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL3545886 0.87 IKBKB (0.46) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL2768209 0.86 JAK2 (0.48) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL2769279 0.86 IKBKB (0.45) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL12342153 0.85 JAK2 (0.40) IKBKBCHUKJAK2JAK3JAK1
SCHEMBL2769011 0.85 IKBKB (0.43) IKBKBCHUKJAK2JAK3JAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US claimed
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-8268855-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
US-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-11-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME IL1R1, IDO1, TLR1 IKBKB 419/4885CHUK 1939/4885JAK2 681/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 IKBKB 419/4885CHUK 1939/4885JAK2 681/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.